The evolution of configuration and final state of graphene on rough iron surface

The results show that the formation of morphology defects in graphene are mainly caused by the rapid normal displacement and the following shrinking along lateral directions that are both induced by the strong adhesion between graphene and iron

Xin He; Qingshun Bai; Rongqi Shen; Feihu Zhang; Yongbo Guo

2020

Key concepts

Scholarcy highlights

  • Molecular dynamics simulations are performed to investigate the evolution of configuration and morphology defects, the final strain and strain induced energy state of graphene on rough iron substrate
  • The results show that the formation of morphology defects in graphene are mainly caused by the rapid normal displacement and the following shrinking along lateral directions that are both induced by the strong adhesion between graphene and iron
  • This strong adhesion cannot lead to global strain in whole graphene layers, i.e., the C–C strain are almost localized around the peaks of the asperities
  • We further find that the strain and deformation energy are linearly dependent on the substrate roughness
  • As the photoelectric performance of graphene is largely influenced by strain, our study provides a guiding direction for evaluating the performance of graphene devices

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